CID 9574723

N-(4-{2-[(aminothioxomethyl)amino]-2-azavinyl}-2-methoxyphenyl)acetamide

Structural Information

Molecular Formula
C11H14N4O2S
SMILES
CC(=O)NC1=C(C=C(C=C1)/C=N\NC(=S)N)OC
InChI
InChI=1S/C11H14N4O2S/c1-7(16)14-9-4-3-8(5-10(9)17-2)6-13-15-11(12)18/h3-6H,1-2H3,(H,14,16)(H3,12,15,18)/b13-6-
InChIKey
LPEQKZKHZQJUSB-MLPAPPSSSA-N
Compound name
N-[4-[(Z)-(carbamothioylhydrazinylidene)methyl]-2-methoxyphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

266.08374 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.09102 159.2
[M+Na]+ 289.07296 164.7
[M-H]- 265.07646 163.6
[M+NH4]+ 284.11756 175.3
[M+K]+ 305.04690 161.6
[M+H-H2O]+ 249.08100 151.1
[M+HCOO]- 311.08194 181.1
[M+CH3COO]- 325.09759 206.9
[M+Na-2H]- 287.05841 160.7
[M]+ 266.08319 159.5
[M]- 266.08429 159.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.